CAS RN: 1146955-35-2
2-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250827 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146955-35-2
- Purity/Analytical Methods: >99.0%
1146955-35-2 / 2-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
2-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole | 2-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole | MFCD22124621
Basic Information
CAS
1146955-35-2
Multi CAS
No
Molecular Formula
C18H25BN2O3
Molecular Weight
328.200000
Exact Mass
328.195823
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC3=NN(C=C23)C4CCCCO4
InChI
InChI=1S/C18H25BN2O3/c1-17(2)18(3,4)24-19(23-17)14-8-7-9-15-13(14)12-21(20-15)16-10-5-6-11-22-16/h7-9,12,16H,5-6,10-11H2,1-4H3
InChIKey
RSQIEDANVHBVHU-UHFFFAOYSA-N
Synonyms
2-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
2-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
MFCD22124621
2H-Indazole, 2-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
SCHEMBL476859
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
94.29
TPSA
45.51
LogP / Solubility
WLOGP
3.03
MLOGP
2.69
XLogP3
3.03
Consensus LogP
2.92
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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